CID 3057790

Isoquinoline, 1,2,3,4-tetrahydro-8-(2-methoxyphenyl)-2-(phenylmethyl)-, hydrochloride

Structural Information

Molecular Formula
C23H23NO
SMILES
COC1=CC=CC=C1C2=CC=CC3=C2CN(CC3)CC4=CC=CC=C4
InChI
InChI=1S/C23H23NO/c1-25-23-13-6-5-11-21(23)20-12-7-10-19-14-15-24(17-22(19)20)16-18-8-3-2-4-9-18/h2-13H,14-17H2,1H3
InChIKey
BIOIKPNQLUHHLY-UHFFFAOYSA-N
Compound name
2-benzyl-8-(2-methoxyphenyl)-3,4-dihydro-1H-isoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

329.17798 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.18526 181.2
[M+Na]+ 352.16720 187.0
[M-H]- 328.17070 189.3
[M+NH4]+ 347.21180 193.9
[M+K]+ 368.14114 180.4
[M+H-H2O]+ 312.17524 170.0
[M+HCOO]- 374.17618 199.2
[M+CH3COO]- 388.19183 190.8
[M+Na-2H]- 350.15265 185.4
[M]+ 329.17743 179.1
[M]- 329.17853 179.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe